%chk=000038551.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000038551

0 1
 Br  0.8708000      -2.593400      -1.272400    
 Cl  -4.848700      -2.620300      0.1736000    
 N  -0.7618000      0.5354000     -8.7099999E-02
 C   -2.188000      0.4991000      0.2346000    
 C  -1.2300000E-02 -0.3396000      0.8137000    
 C   -2.734700     -0.9177000      6.6399999E-02
 C  -0.2548000       1.904800     -8.6000003E-03
 C    1.453600     -0.3732000      0.4721000    
 C   -4.222900     -0.9692000      0.3891000    
 C    1.969800      -1.303300     -0.4212000    
 C    2.281000      0.5617000       1.082700    
 C   -1.005200       2.824300     -0.9224000    
 C    3.334600      -1.299000     -0.7088000    
 C    3.645900      0.5659000      0.7951000    
 C    4.172800     -0.3645000     -0.1006000    
 C   -1.700000       3.889100     -0.5061000    
 H   -2.374200      0.8544000       1.257000    
 H   -2.768300       1.135600     -0.4428000    
 H  -0.3619000      -1.371700      0.8352000    
 H  -0.1281000     -3.1999999E-03   1.855300    
 H   -2.562100      -1.265900     -0.9599000    
 H   -2.258900      -1.631800      0.7432000    
 H   0.7764000       1.970800     -0.3683000    
 H  -0.2797000       2.283700       1.021900    
 H   -4.793900     -0.3109000     -0.2725000    
 H   -4.414200     -0.6738000       1.425200    
 H    1.894500       1.283400       1.797100    
 H  -0.9715000       2.611900      -1.988500    
 H    3.763500      -2.016300      -1.403900    
 H    4.299300       1.290900       1.271700    
 H    5.235800     -0.3617000     -0.3237000    
 H   -2.219500       4.519000      -1.220000    
 H   -1.764800       4.149200      0.5445000    


%chk=000038551-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000038551

0 1
Br 0.595616 -2.298205 -1.343488
Cl -4.916979 -2.738031 -0.367177
N -0.795132 0.605556 0.250021
C -2.236663 0.405073 0.542676
C 0.090100 -0.189443 1.142985
C -2.768852 -0.953616 0.022918
C -0.411934 2.040725 0.186542
C 1.518581 -0.297965 0.628087
C -4.279310 -1.057377 0.231501
C 1.907547 -1.139075 -0.445776
C 2.545456 0.465269 1.246612
C -1.042803 2.747586 -0.995116
C 3.240240 -1.208964 -0.903198
C 3.886434 0.411500 0.809483
C 4.234132 -0.425823 -0.273366
C -1.695056 3.935374 -0.932914
H -2.452620 0.502663 1.639172
H -2.787186 1.220267 0.036580
H -0.342696 -1.201891 1.226600
H 0.119005 0.241336 2.176657
H -2.522347 -1.039714 -1.049461
H -2.274213 -1.797493 0.537103
H 0.688480 2.078145 0.066682
H -0.654507 2.589912 1.132752
H -4.841011 -0.313345 -0.354660
H -4.570051 -1.004438 1.292862
H 2.272675 1.110041 2.091274
H -0.919356 2.231087 -1.958303
H 3.500076 -1.871542 -1.734000
H 4.651059 1.015557 1.308981
H 5.269013 -0.480729 -0.627454
H -2.095881 4.417491 -1.831421
H -1.839319 4.463770 0.018446


